2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid

C16H24N2O3 — CID 62822661

IUPAC2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid
SMILESCc1ccccc1CN(C)C(=O)CN(C)C(C)(C)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-12-8-6-7-9-13(12)10-17(4)14(19)11-18(5)16(2,3)15(20)21/h6-9H,10-11H2,1-5H3,(H,20,21)
InChIKeyLKVJCBSLXBLYFD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.75
Rot. Bonds6

About 2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid

2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 62822661) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid
PubChem CID62822661
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid
SMILESCc1ccccc1CN(C)C(=O)CN(C)C(C)(C)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-12-8-6-7-9-13(12)10-17(4)14(19)11-18(5)16(2,3)15(20)21/h6-9H,10-11H2,1-5H3,(H,20,21)
InChIKeyLKVJCBSLXBLYFD-UHFFFAOYSA-N
XLogP1.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 115157383
2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 62822694
2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78787410
3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 60849544
N-methyl-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 9428614
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate
CID 115128855
N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide
CID 60542879
4-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzoic acid
CID 119179454
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 43578825

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid (CID 62822661) is 2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid is Cc1ccccc1CN(C)C(=O)CN(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is LKVJCBSLXBLYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-8-6-7-9-13(12)10-17(4)14(19)11-18(5)16(2,3)15(20)21/h6-9H,10-11H2,1-5H3,(H,20,21).
What are the key properties of 2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid?
2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 62822661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).